REMARK Name = BDB024876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.087 0.541 -1.179 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.088 -0.400 -0.872 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.367 -1.851 -1.016 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.361 -2.337 0.056 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.132 -2.762 -0.937 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.955 -2.130 -1.644 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.667 -0.828 -0.958 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.346 -0.399 -0.706 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.167 -1.039 -0.980 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.799 -0.241 -0.567 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -0.272 0.912 -0.010 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.107 0.826 -0.099 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.149 1.674 0.284 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.458 1.245 0.023 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.739 0.018 -0.595 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.972 1.762 -1.143 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.988 2.030 0.602 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.695 1.631 1.905 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.316 2.848 2.606 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.924 3.880 1.644 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.178 3.309 0.253 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.888 2.796 -0.386 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.329 2.389 3.631 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.201 2.460 4.841 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.436 1.847 3.090 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.981 1.603 3.869 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.291 0.862 -1.940 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.251 -0.051 -1.587 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.264 -0.579 -0.704 0.00 0.00 +0.056 C ATOM 30 C LIG 1 -2.597 -0.813 -2.183 0.00 0.00 +0.016 C BRANCH 29 31 ATOM 31 C LIG 1 -2.591 -1.814 0.162 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 -4.068 -2.132 0.236 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -4.584 -3.254 -0.426 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -5.948 -3.545 -0.370 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.809 -2.718 0.349 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.307 -1.600 1.013 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.943 -1.309 0.958 0.00 0.00 +0.003 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7